General Information of the Compound
| Compound ID |
CP0560720
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| Compound Name |
US9278960, 8-55
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| Structure |
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| Formula |
C25H24N4O3
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| Molecular Weight |
428.492
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| Canonical SMILES |
COc1ccc(cc1OC)-c1cc(nc2cc(CCc3cnc(C)nc3)ccc12)C(N)=O
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| InChI |
InChI=1S/C25H24N4O3/c1-15-27-13-17(14-28-15)5-4-16-6-8-19-20(12-22(25(26)30)29-21(19)10-16)18-7-9-23(31-2)24(11-18)32-3/h6-14H,4-5H2,1-3H3,(H2,26,30)
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| InChIKey |
BQLFSAFAUMMOKY-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound